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Substance Name: EINECS 229-922-3
RN: 6837-87-2
InChIKey: RBKHJPLGRNRGTC-PZTLXDDZSA-G

Molecular Formula

  • C34-H17-Cu2-N6-O15-S3.3Na

Molecular Weight

  • 1041.8
 
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Names and Synonyms

Results Name

  • EINECS 229-922-3

Synonym

  • EINECS 229-922-3

Systematic Names

  • Cuprate(3-), (mu-(2-((1-(hydroxy-kappaO)-6-((((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo-kappaN1)benzoato(7-)-kappaO))di-, trisodium
  • Cuprate(3-), (mu-(2-(2-(1-(hydroxy-kappaO)-6-((((5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)benzoato(7-)-kappaO))di-, sodium (1:3)
  • Trisodium (mu-(2-((1-hydroxy-6-((((5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoato(7-)))dicuprate(3-)

Registry Numbers

CAS Registry Number

  • 6837-87-2

Other Registry Numbers

  • 12239-53-1
  • 84195-86-8

System Generated Number

  • 0006837872

Molecular Formulas

Molecular Formula

  • C34-H17-Cu2-N6-O15-S3.3Na

Molecular Formula Fragments

  • C34-H17-Cu2-N6-O15-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H24N6O15S3.2Cu.3Na/c41-26-10-7-20(56(47,48)49)15-25(26)38-40-30-28(58(53,54)55)14-17-12-19(6-9-22(17)32(30)43)36-34(46)35-18-5-8-21-16(11-18)13-27(57(50,51)52)29(31(21)42)39-37-24-4-2-1-3-23(24)33(44)45;;;;;/h1-15,41-43H,(H,44,45)(H2,35,36,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;/q;2*+2;3*+1/p-7/b39-37+,40-38+;;;;;

InChIKey

RBKHJPLGRNRGTC-PZTLXDDZSA-G

Smiles

[Cu+2].[O-]C(c1c(\N=N\c2c(c3c(cc2S([O-])(=O)=O)cc(NC(Nc2cc4cc(c(c(c4cc2)[O-])\N=N\c2c([O-])ccc(S([O-])(=O)=O)c2)S(=O)(=O)[O-])=O)cc3)[O-])cccc1)=O.[Na+].[Cu+2].[Na+].[Na+]